ICV333 #332 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match
Model 1 Model 2 Model 3
ACE2_HUMAN angiotensin converting enzyme 2 -10.16 N/A N/A 35.85% CHEMBL398545
GP160_HIV1 Envelope glycoprotein gp160 -7.42 -7.95 -7.57 N/A N/A
GP160_HIV2 Envelope glycoprotein gp160 -7.52 N/A N/A N/A N/A
GP_EBOV Envelope glycoprotein -8.84 -8.62 -8.58 29.20% CHEMBL3125899
HA_A-H10N7 Hemagglutinin -7.65 N/A N/A N/A N/A
HA_A-H10N8 Hemagglutinin -6.90 N/A N/A N/A N/A
HA_A-H13N6 Hemagglutinin -6.41 N/A N/A N/A N/A
HA_A-H14N6 Hemagglutinin -8.19 N/A N/A N/A N/A
HA_A-H15N9 Hemagglutinin -7.72 N/A N/A N/A N/A
HA_A-H17N10 Hemagglutinin -6.55 N/A N/A N/A N/A
HA_A-H18N11 Hemagglutinin -6.92 N/A N/A N/A N/A
HA_A-H1N1 Hemagglutinin -7.66 -7.38 N/A N/A N/A
HA_A-H2N2 Hemagglutinin -6.82 -7.36 N/A N/A N/A
HA_A-H3N2 Hemagglutinin -7.40 -7.73 -7.30 N/A N/A
HA_A-H3N8 Hemagglutinin -7.13 -6.77 -6.83 N/A N/A
HA_A-H5N1 Hemagglutinin -6.93 -7.30 -7.43 N/A N/A
HA_A-H5N3 Hemagglutinin -6.93 -7.12 N/A N/A N/A
HA_A-H6N1 Hemagglutinin -6.90 N/A N/A N/A N/A
HA_A-H6N6 Hemagglutinin -7.58 N/A N/A N/A N/A
HA_A-H7N2 Hemagglutinin -7.21 -5.97 -7.14 N/A N/A
HA_A-H7N7 Hemagglutinin -6.72 -7.84 N/A N/A N/A
HA_A-H7N9 Hemagglutinin -7.97 N/A N/A N/A N/A
HA_INFB Hemagglutinin -7.56 -6.95 N/A N/A N/A
HA_INFD Hemagglutinin-esterase-fusion glycoprotein -6.70 N/A N/A N/A N/A
HE_BCV Hemagglutinin-esterase -6.48 -7.40 N/A N/A N/A
HE_HCoV-OC43 Hemagglutinin-esterase -6.36 N/A N/A N/A N/A
HE_MHV Hemagglutinin-esterase -6.31 N/A N/A N/A N/A
IN_HIV1 Gag-Pol polyprotein -6.20 -6.66 N/A N/A N/A
MD_HKU4 Replicase polyprotein 1ab -10.29 -9.57 -9.81 N/A N/A
MD_MERs Replicase polyprotein 1a -10.30 -9.46 N/A N/A N/A
MTASE_SARS2 Methyltransferase -6.35 N/A N/A N/A N/A
MTASE_SARS2 Methyltransferase -8.59 N/A N/A N/A N/A
MX2_A-H5N1 Matrix protein 2 -5.00 N/A N/A N/A N/A
NA_A-H11N6 Neuraminidase -8.91 -8.71 -7.86 N/A N/A
NA_A-H11N9 Neuraminidase -7.64 -8.83 -8.47 N/A N/A
NA_A-H12N5 Neuraminidase -8.58 -9.23 -9.17 N/A N/A
NA_A-H13N9 Neuraminidase -7.30 N/A N/A N/A N/A
NA_A-H17N10 Neuraminidase -8.02 N/A N/A N/A N/A
NA_A-H18N11 Neuraminidase -8.41 N/A N/A N/A N/A
NA_A-H1N1 Neuraminidase -7.57 N/A N/A N/A N/A
NA_A-H2N2 Neuraminidase -7.72 -8.67 -8.47 N/A N/A
NA_A-H3N2 Ig heavy chain Mem5 -7.93 -7.59 N/A N/A N/A
NA_A-H3N8 Neuraminidase -8.31 -8.96 -8.62 N/A N/A
NA_A-H5N1 Neuraminidase -8.58 N/A N/A N/A N/A
NA_A-H7N9 Neuraminidase -8.10 -7.65 -8.52 N/A N/A
NA_INFB Neuraminidase -7.88 -7.85 N/A 36.73% CHEMBL4175983
NP_A-H1N1 Nucleoprotein -7.37 -7.72 -7.47 N/A N/A
NP_A-H5N1 Nucleoprotein -7.13 N/A N/A N/A N/A
NP_HCoV-NL63 Nucleoprotein -6.71 N/A N/A N/A N/A
NP_HCoV-OC43 Nucleoprotein -9.05 -8.42 -7.82 25.34% CHEMBL3233481
NP_INFB Nucleoprotein -5.94 N/A N/A N/A N/A
NP_INFD NP -7.01 N/A N/A N/A N/A
NP_SARS Nucleoprotein -8.16 N/A N/A N/A N/A
NS3_HCV1A Genome polyprotein -7.86 -6.88 -8.15 37.12% CHEMBL3908382
NS3_HCV1B Genome polyprotein -9.83 -7.08 -6.26 29.41% CHEMBL1170410
NS3_HCV3A Genome polyprotein -8.89 -7.42 -8.22 N/A N/A
NS5B_HCV1A Genome polyprotein -8.81 -9.97 -10.39 30.17% CHEMBL353549
NS5B_HCV1B Genome polyprotein -9.50 -8.93 -8.90 32.50% CHEMBL3645210
NS5B_HCV2A Genome polyprotein -11.16 -10.10 N/A N/A N/A
NSP15_SARS Replicase polyprotein 1ab -7.86 N/A N/A 30.34% CHEMBL2441741
NSP15_SARS2 Replicase polyprotein 1ab -8.92 N/A N/A N/A N/A
NSP1_INFB Non-structural protein 1 -6.93 -6.74 N/A N/A N/A
NSP1_SARS Replicase polyprotein 1ab -8.21 N/A N/A 30.34% CHEMBL2441741
NSP3_HCoV-229E Replicase polyprotein 1a -10.94 N/A N/A N/A N/A
NSP3_IBV Replicase polyprotein 1a -9.65 N/A N/A N/A N/A
NSP3_MHV Replicase polyprotein 1ab -7.81 N/A N/A N/A N/A
NSP3_SARS2 Replicase polyprotein 1ab -8.63 N/A N/A N/A N/A
NSP9_HCoV-229E Replicase polyprotein 1ab -8.11 -7.86 N/A N/A N/A
PA_A-H17N10 Polymerase acidic protein -8.68 N/A N/A N/A N/A
PA_A-H1N1 Polymerase acidic protein -9.13 -8.98 -9.75 N/A N/A
PA_A-H5N1 Polymerase acidic protein -9.25 -8.93 -9.41 N/A N/A
PA_INFA Polymerase acidic protein -9.99 -7.79 -9.17 40.94% CHEMBL463590
PA_INFB Polymerase acidic protein -9.13 N/A N/A N/A N/A
PB2_A-H3N2 Polymerase basic protein 2 -9.79 -9.40 N/A N/A N/A
PB2_A-H5N1 Polymerase basic protein 2 -9.14 -8.61 -8.23 N/A N/A
PB2_INFB Polymerase basic protein 2 -9.13 N/A N/A N/A N/A
PB3_A-H3N2 Polymerase basic protein 2 -9.46 N/A N/A N/A N/A
PB4_A-H3N2 Polymerase basic protein 2 -8.28 N/A N/A N/A N/A
PLP_SARS Replicase polyprotein 1a -9.89 -10.06 -8.97 39.88% CHEMBL358279
PLP_SARS2 papain-like protease -7.22 N/A N/A N/A N/A
PR_FCoV Replicase polyprotein 1ab -8.50 N/A N/A N/A N/A
PR_HCoV-229E Replicase polyprotein 1a -8.47 -7.45 N/A N/A N/A
PR_HCoV-NL63 Replicase polyprotein 1a -5.68 -8.65 N/A N/A N/A
PR_HIV1 Gag-Pol polyprotein -7.37 -7.43 -7.28 24.77% CHEMBL523528
PR_HIV2 Gag-Pol polyprotein -7.54 -7.73 N/A N/A N/A
PR_HKU1 Replicase polyprotein 1a -7.35 N/A N/A N/A N/A
PR_HKU4 Replicase polyprotein 1ab -8.23 -9.39 -8.88 N/A N/A
PR_IBV Replicase polyprotein 1a -8.20 N/A N/A N/A N/A
PR_MERs 3C-like proteinase -7.59 -8.55 N/A N/A N/A
PR_PEDV 3C-like proteinase -8.40 N/A N/A N/A N/A
PR_SARS Replicase polyprotein 1ab -7.73 -7.89 -7.33 30.34% CHEMBL2441741
PR_SARS2 3C-like protease -7.97 N/A N/A N/A N/A
PR_TGEV Replicase polyprotein 1a -8.75 N/A N/A N/A N/A
RDRP_SARS2 RNA-dependent RNA polymerase -6.63 N/A N/A 17.08% CHEMBL4065616
RT_HIV1 Gag-Pol polyprotein -11.02 -10.73 -10.49 47.02% CHEMBL4227382
SPIKE_HCoV-229E Spike glycoprotein -5.66 N/A N/A N/A N/A
SPIKE_HCoV-NL63 Spike glycoprotein -6.22 N/A N/A N/A N/A
SPIKE_HCoV-OC43 Spike glycoprotein -6.83 N/A N/A N/A N/A
SPIKE_HKU4 Spike glycoprotein -6.73 N/A N/A N/A N/A
SPIKE_IBV Spike glycoprotein -7.35 N/A N/A N/A N/A
SPIKE_MERs Spike glycoprotein -7.37 -8.34 -5.81 N/A N/A
SPIKE_MHV Spike glycoprotein -7.54 N/A N/A N/A N/A
SPIKE_PDCoV Spike protein -7.08 N/A N/A N/A N/A
SPIKE_SARS Spike glycoprotein -7.32 -6.75 N/A N/A N/A
SPIKE_SARS2 Spike glycoprotein -6.63 -7.26 -7.43 N/A N/A